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6240-96-6 molecular structure
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(1R)-1-cyclopropylethan-1-amine

ChemBase ID: 278425
Molecular Formular: C5H11N
Molecular Mass: 85.14754
Monoisotopic Mass: 85.08914936
SMILES and InChIs

SMILES:
C1(CC1)[C@H](N)C
Canonical SMILES:
C[C@H](C1CC1)N
InChI:
InChI=1S/C5H11N/c1-4(6)5-2-3-5/h4-5H,2-3,6H2,1H3/t4-/m1/s1
InChIKey:
IXCXVGWKYIDNOS-SCSAIBSYSA-N

Cite this record

CBID:278425 http://www.chembase.cn/molecule-278425.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1R)-1-cyclopropylethan-1-amine
IUPAC Traditional name
(1R)-1-cyclopropylethanamine
Synonyms
(1R)-1-cyclopropylethan-1-amine
(R)-alpha-Methylcyclopropanemethylamine
(R)-1-Cyclopropylethylamine, ChiPros®
(R)-1-环丙基乙胺, ChiPros® 98%, ee 98+%
CAS Number
6240-96-6
MDL Number
MFCD08064288
PubChem SID
164334335
PubChem CID
7016286

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 7016286 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.4562607  LogD (pH = 7.4) -2.171581 
Log P 0.5716934  Molar Refractivity 26.2796 cm3
Polarizability 10.75224 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
-68°C expand Show data source
Boiling Point
95°C expand Show data source
Flash Point
3°C(37°F) expand Show data source
Density
0.799 expand Show data source
Hydrophobicity(logP)
0.618 expand Show data source
Storage Warning
Air Sensitive expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Flammable Flammable (F) expand Show data source
UN Number
UN2733 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
II expand Show data source
Risk Statements
11-34 expand Show data source
Safety Statements
9-16-26-36/37/39-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS Hazard statements
H225-H314-H318 expand Show data source
GHS Precautionary statements
P210-P280-P303+P361+P353-P305+P351+P338-P310-P403 expand Show data source
Purity
95% expand Show data source
98%, ee 98+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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